| Literature DB >> 16296816 |
Mathivathani Kandiah1, G Sean McGrady, Andreas Decken, Peter Sirsch.
Abstract
Reduction of [(triphos)NiCl2] (1) with an excess of NaBH4 in THF produces the paramagnetic Ni(I) complex [(triphos)Ni(eta2-BH4)] (2). X-ray crystallography shows 1 to be a square-planar Ni(II) species in which the phosphine ligand is bidentate, whereas 2 has pseudotetrahedral geometry at the Ni(I) center, with a tridentate phosphine and the borohydride ligand occupying a single coordination site. Density functional theory calculations show the unpaired electron in 2 to reside in an orbital located mainly on the Ni atom.Entities:
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Year: 2005 PMID: 16296816 DOI: 10.1021/ic051541y
Source DB: PubMed Journal: Inorg Chem ISSN: 0020-1669 Impact factor: 5.165